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24926-63-4 | 9H-Purine, 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-
CAS No: 24926-63-4 Catalog No: AG002PWL MDL No:
Product Description
Catalog Number:
AG002PWL
Chemical Name:
9H-Purine, 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-
CAS Number:
24926-63-4
Molecular Formula:
C24H26N6
Molecular Weight:
398.5034
IUPAC Name:
6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine
InChI:
InChI=1S/C24H26N6/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-12-29-13-15-30(16-14-29)24-22-23(26-17-25-22)27-18-28-24/h1-10,17-18,21H,11-16H2,(H,25,26,27,28)
InChI Key:
IDZZPIGRJYPIIM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccc1)CCN1CCN(CC1)c1ncnc2c1nc[nH]2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.222g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.514g/mol
Monoisotopic Mass:
398.222g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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